Geometry & MOs

Info

ID:	174137
PubChem CID:	75729593
Reduced:	N4O8C23H28 (1)
Stoich.:	A4B8C23D28 (1)
Weight, g/mol:	450.18819
ΔH_f, kcal/mol:	-147.73
Dipole, Da:	4.32
IP(EA), eV:	-8.85(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-bromophenyl)acetyl]-propylamino]-N-tert-butyl-2-cyclohexylacetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC(=C(C=C1)O)OC)N(CCC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations